5-{[(4,6-Dimethyl-2-Pyrimidinyl)Sulfanyl]Methyl}-2-Furoic Acid
[CAS# 438622-94-7]

Identification

• Name: 5-{[(4,6-Dimethyl-2-Pyrimidinyl)Sulfanyl]Methyl}-2-Furoic Acid
• Synonyms: 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)furan-2-carboxylic acid; 5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-fura; 5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-furan-2-carboxylic acid
• Molecular Formula: C₁₂H₁₂N₂O₃S
• Molecular Weight: 264.30
• CAS Registry Number: 438622-94-7
• SMILES: CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)C
• InChI: 1S/C12H12N2O3S/c1-7-5-8(2)14-12(13-7)18-6-9-3-4-10(17-9)11(15)16/h3-5H,6H2,1-2H3,(H,15,16)
• InChIKey: HWENPASLBBETFY-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 478.0±45.0°C at 760 mmHg (Cal.)
• Flash point: 242.9±28.7°C (Cal.)
• Refractive index: 1.626 (Cal.)

Safety Data

• Safety Description: IRRITANT